Chlorine in PDB 3e3k: Structural Characterization of A Putative Endogenous Metal Chelator in the Periplasmic Nickel Transporter Nika (Butane-1,2,4-Tricarboxylate Without Nickel Form)

The structure of Structural Characterization of A Putative Endogenous Metal Chelator in the Periplasmic Nickel Transporter Nika (Butane-1,2,4-Tricarboxylate Without Nickel Form), PDB code: 3e3k was solved by M.V.Cherrier, C.Cavazza, C.Bochot, D.Lemaire, J.C.Fontecilla-Camps, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.45 / 2.80
Space group	P 62
Cell size a, b, c (Å), α, β, γ (°)	158.700, 158.700, 134.600, 90.00, 90.00, 120.00
R / Rfree (%)	24.5 / 32.1

The binding sites of Chlorine atom in the Structural Characterization of A Putative Endogenous Metal Chelator in the Periplasmic Nickel Transporter Nika (Butane-1,2,4-Tricarboxylate Without Nickel Form) (pdb code 3e3k). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Structural Characterization of A Putative Endogenous Metal Chelator in the Periplasmic Nickel Transporter Nika (Butane-1,2,4-Tricarboxylate Without Nickel Form), PDB code: 3e3k:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Structural Characterization of A Putative Endogenous Metal Chelator in the Periplasmic Nickel Transporter Nika (Butane-1,2,4-Tricarboxylate Without Nickel Form)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structural Characterization of A Putative Endogenous Metal Chelator in the Periplasmic Nickel Transporter Nika (Butane-1,2,4-Tricarboxylate Without Nickel Form) within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl503 b:60.4 occ:0.50 N B:HIS442 3.7 58.8 1.0 OG1 B:THR441 4.1 55.2 1.0 CA B:THR441 4.2 45.0 1.0 N B:ASP443 4.4 45.4 1.0 C B:THR441 4.5 45.0 1.0 CB B:THR441 4.6 55.2 1.0 CA B:HIS442 4.7 58.8 1.0 CB B:HIS442 4.7 64.3 1.0 CB B:ASP443 4.7 50.8 1.0 C B:HIS442 4.9 58.8 1.0

Chlorine binding site 2 out of 4 in the Structural Characterization of A Putative Endogenous Metal Chelator in the Periplasmic Nickel Transporter Nika (Butane-1,2,4-Tricarboxylate Without Nickel Form)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structural Characterization of A Putative Endogenous Metal Chelator in the Periplasmic Nickel Transporter Nika (Butane-1,2,4-Tricarboxylate Without Nickel Form) within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl503 b:65.6 occ:1.00 N C:ASP331 3.3 56.2 1.0 NH2 C:ARG365 3.6 52.7 1.0 CA C:LYS330 4.0 65.7 1.0 OD1 C:ASP331 4.0 69.5 1.0 CB C:LYS330 4.1 65.3 1.0 N C:ILE332 4.1 58.6 1.0 CB C:ASP331 4.1 69.5 1.0 C C:LYS330 4.2 65.7 1.0 CA C:ASP331 4.2 56.2 1.0 CD1 C:ILE332 4.3 38.8 1.0 CG C:LYS330 4.4 65.3 1.0 CG C:ASP331 4.5 69.5 1.0 CG1 C:ILE332 4.5 38.8 1.0 C C:ASP331 4.7 56.2 1.0 CB C:ILE332 4.7 38.8 1.0 CZ C:ARG365 4.8 52.7 1.0 O C:GLY329 5.0 58.8 1.0

Chlorine binding site 3 out of 4 in the Structural Characterization of A Putative Endogenous Metal Chelator in the Periplasmic Nickel Transporter Nika (Butane-1,2,4-Tricarboxylate Without Nickel Form)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Structural Characterization of A Putative Endogenous Metal Chelator in the Periplasmic Nickel Transporter Nika (Butane-1,2,4-Tricarboxylate Without Nickel Form) within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl504 b:61.4 occ:1.00 OE1 C:GLN361 3.8 42.4 1.0 N C:LEU373 3.9 41.8 1.0 CA C:SER372 4.3 39.3 1.0 C C:SER372 4.7 39.3 1.0 CB C:SER372 4.8 43.0 1.0 CB C:LEU373 4.8 61.8 1.0 O C:VAL371 4.8 34.4 1.0 O C:LEU373 4.9 41.8 1.0 CD C:GLN361 4.9 42.4 1.0 CA C:LEU373 4.9 41.8 1.0

Chlorine binding site 4 out of 4 in the Structural Characterization of A Putative Endogenous Metal Chelator in the Periplasmic Nickel Transporter Nika (Butane-1,2,4-Tricarboxylate Without Nickel Form)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Structural Characterization of A Putative Endogenous Metal Chelator in the Periplasmic Nickel Transporter Nika (Butane-1,2,4-Tricarboxylate Without Nickel Form) within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl505 b:77.1 occ:1.00 CB B:PRO429 3.7 45.4 1.0 CG B:PRO429 3.8 45.4 1.0 CD C:ARG341 3.9 44.9 1.0 CB C:ARG341 4.0 44.9 1.0 NE2 C:GLN338 4.4 39.9 1.0 CG C:ARG341 4.6 44.9 1.0 NH1 C:ARG341 4.7 44.9 1.0 O C:ARG341 4.8 53.5 1.0

M.V.Cherrier, C.Cavazza, C.Bochot, D.Lemaire, J.C.Fontecilla-Camps. Structural Characterization of A Putative Endogenous Metal Chelator in the Periplasmic Nickel Transporter Nika Biochemistry V. 47 9937 2008.
ISSN: ISSN 0006-2960
PubMed: 18759453
DOI: 10.1021/BI801051Y